2-[3-azanyl-4-[(2S)-octan-2-yl]oxy-phenyl]benzoate

Systemtic Name: 2-[3-azanyl-4-[(2S)-octan-2-yl]oxy-phenyl]benzoate Openeye Name: 2-[3-amino-4-[(1S)-1-methylheptoxy]phenyl]benzoate CAS Name: 2-[3-amino-4-[(2S)-octan-2-yl]oxyphenyl]benzoate IUPAC Name: 2-[3-amino-4-[(2S)-octan-2-yl]oxyphenyl]benzoate Traditional Name: 2-[3-amino-4-[(1S)-1-methylheptoxy]phenyl]benzoate Formula: C21H26NO3- MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)[O-])N

Isomeric SMILES

CCCCCC[C@H](C)OC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)[O-])N

InChI

InChI=1S/C21H27NO3/c1-3-4-5-6-9-15(2)25-20-13-12-16(14-19(20)22)17-10-7-8-11-18(17)21(23)24/h7-8,10-15H,3-6,9,22H2,1-2H3,(H,23,24)/p-1/t15-/m0/s1